CID 62234679

2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H5BrFNO3
SMILES
C1=CC(=C(C=C1Br)F)C2=NC(=CO2)C(=O)O
InChI
InChI=1S/C10H5BrFNO3/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKey
CSERUWCULLPIGW-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.9437 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.95098 151.9
[M+Na]+ 307.93292 165.1
[M-H]- 283.93642 159.0
[M+NH4]+ 302.97752 170.1
[M+K]+ 323.90686 154.9
[M+H-H2O]+ 267.94096 150.8
[M+HCOO]- 329.94190 171.1
[M+CH3COO]- 343.95755 192.2
[M+Na-2H]- 305.91837 156.8
[M]+ 284.94315 171.3
[M]- 284.94425 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.